5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt
TL;DR: 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt (CAS 7563-42-0) is a chemical compound with molecular formula C11H18CaN2O3+2 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: Schlafen, Repocal, Ravona, Pentobarbital calcium, Insom-rapido
| Molecular Formula | C11H18CaN2O3+2 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.09433 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 7563-42-0 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=O)NC1=O)CC.[Ca+2] |
| InChIKey | AJZCPCVZCDQEFK-UHFFFAOYSA-N |
Product Overview
5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt (CAS 7563-42-0), with molecular formula C11H18CaN2O3+2 and molecular weight 266.09 g/mol. IUPAC: calcium 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt
Property Insights of 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt. Following Lipinski's Rule of Five, 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt?
The CAS number of 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt is 7563-42-0.
What is the molecular formula of 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt?
The molecular formula of 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt is C11H18CaN2O3+2.
What is the molecular weight of 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt?
The molecular weight of 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt is 266.09 g/mol.
Where can I buy 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt?
You can request a quote for 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-5-(sec-pentyl)barbituric acid, calcium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.